[Top][All Lists]

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[task #15639] Building GROMACS in Maneage

From: Mohammad Akhlaghi
Subject: [task #15639] Building GROMACS in Maneage
Date: Wed, 13 May 2020 10:39:41 -0400 (EDT)
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:76.0) Gecko/20100101 Firefox/76.0


                 Summary: Building GROMACS in Maneage
                 Project: Reproducible paper template
            Submitted by: makhlaghi
            Submitted on: Wed 13 May 2020 03:39:39 PM BST
         Should Start On: Wed 13 May 2020 12:00:00 AM BST
   Should be Finished on: Wed 13 May 2020 12:00:00 AM BST
                Category: Software
                Priority: 5 - Normal
                  Status: Postponed
                 Privacy: Public
        Percent Complete: 0%
             Assigned to: None
             Open/Closed: Open
         Discussion Lock: Any
                  Effort: 0.00



"GROMACS <> is a versatile package to
perform molecular dynamics, i.e. simulate the Newtonian equations of motion
for systems with hundreds to millions of particles." It is a commonly used
package in molecular dynamics simulations and has been proposed to be included
in Maneage by Yahya Sefidbakht.

Its installation instructions
are also available and fortunately it seems to only depend on FFTW, other than
that apparently it just needs a C compiler!

So it should be fairly easy to include it in the `' step. Surena,
do have time to try adding it to Maneage? 


Reply to this item at:


  Message sent via Savannah

reply via email to

[Prev in Thread] Current Thread [Next in Thread]